Vitas-M small molecule compound
ethyl 2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Catalog ID
STL054471
SMILES CCOC(=O)c1c(N/C=C(\c2scc(n2)c2ccc(cc2)F)/C#N)sc(c1C)C(=O)Nc1ccccc1OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H23FN4O4S2 MW 562.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN4O4S2/c1-4-37-28(35)23-16(2)24(25(34)32-20-7-5-6-8-22(20)36-3)39-27(23)31-14-18(13-30)26-33-21(15-38-26)17-9-11-19(29)12-10-17/h5-12,14-15,31H,4H2,1-3H3,(H,32,34)/b18-14-InChIKey
USKRHTKWKYTENF-JXAWBTAJSA-NSynonyms
(Z)ethyl2((2cyano2(4(4fluorophenyl)thiazol2yl)vinyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)F
CCOC(=O)c1c(NC=C(c2scc(n2)c2ccc(cc2)F)C#N)sc(c1C)C(=O)Nc1ccccc1OC
ethyl2(((Z)2cyano2(4(4fluorophenyl)13thiazol2yl)ethenyl)amino)5((2methoxyphenyl)carbamoyl)4methylthiophene3carboxylate
InChI=1SC28H23FN4O4S2c143728(35)2316(2)24(25(34)3220756822(20)363)3927(23)311418(1330)263321(153826)1791119(29)121017h512141531H4H213H3(H3234)b1814
MFCD05725266
ZINC000001872512
ZINC01872512
ZINC1872512
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